TY  - JOUR
A1  - Gharabekyan, Hrant H.
A1  - Koetz, Joachim
A1  - Poghosyan, Armen H.
T1  - A protonated L-cysteine adsorption on gold surface
BT  - a molecular dynamics study
JF  - Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects
N2  - The adsorption of protonated L-cysteine onto Au(111) surface was studied via molecular dynamics method. The detailed examination of trajectories reveals that a couple of picoseconds need to be strongly adsorbed at the gold surface via L-cysteine's sulfur and oxygen atoms. The average distances of L-cysteine's adsorbed sulfur and oxygen from gold plane are-2.7 angstrom and-3.2 angstrom, correspondingly. We found that the adsorption of L-cysteine takes place preferentially at bridge site with possibility of-82%. Discussing the conformation features of protonated L-cysteine, we consider that the most stable conformation of protonated L-cysteine is "reverse boat" position, where sulfur and oxygen pointed down to the gold surface, while the amino group is far from the gold surface.
KW  - MD simulations
KW  - gold surface
KW  - GOIP
KW  - l-cysteine
KW  - adsorption
KW  - protonation
Y1  - 2021
U6  - https://doi.org/10.1016/j.colsurfa.2021.127452
SN  - 0927-7757
SN  - 1873-4359
VL  - 629
PB  - Elsevier
CY  - Amsterdam
ER  -